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6P04
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BU of 6p04 by Molmil
Binary structure of the E52D mutant of ANT-4'' with Neomycin
Descriptor: Kanamycin nucleotidyltransferase, MAGNESIUM ION, NEOMYCIN
Authors:Selvaraj, B, Cuneo, M.J.
Deposit date:2019-05-16
Release date:2020-01-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:"Catch and Release": a Variation of the Archetypal Nucleotidyl Transfer Reaction
Acs Catalysis, 10, 2020
6P01
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BU of 6p01 by Molmil
Apo structure of the E52D mutant of ANT-4
Descriptor: CHLORIDE ION, GLYCEROL, Kanamycin nucleotidyltransferase, ...
Authors:Selvaraj, B, Cuneo, M.J.
Deposit date:2019-05-16
Release date:2020-01-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:"Catch and Release": a Variation of the Archetypal Nucleotidyl Transfer Reaction
Acs Catalysis, 10, 2020
6P08
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BU of 6p08 by Molmil
Ternary structure of the E52D mutant of ANT-4'' with Neomycin, AMP and Pyrophosphate
Descriptor: ADENOSINE MONOPHOSPHATE, Kanamycin nucleotidyltransferase, MAGNESIUM ION, ...
Authors:Selvaraj, B, Cuneo, M.J.
Deposit date:2019-05-16
Release date:2020-01-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:"Catch and Release": a Variation of the Archetypal Nucleotidyl Transfer Reaction
Acs Catalysis, 10, 2020
6P06
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BU of 6p06 by Molmil
Ternary structure of the E52D mutant of ANT-4 with Neomycin and AMPCPP
Descriptor: CALCIUM ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Kanamycin nucleotidyltransferase, ...
Authors:Selvaraj, B, Cuneo, M.J.
Deposit date:2019-05-16
Release date:2020-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:"Catch and Release": a Variation of the Archetypal Nucleotidyl Transfer Reaction
Acs Catalysis, 10, 2020
6UN8
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BU of 6un8 by Molmil
Wild type ANT bound to neomycin
Descriptor: Aminoglycoside NucleotidylTransferase, MAGNESIUM ION, NEOMYCIN
Authors:Cuneo, M.J, Selvaraj, B.
Deposit date:2019-10-11
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:"Catch and Release": a Variation of the Archetypal NucleotidylTransfer Reaction
ACS Catal, 10, 2020
8TX6
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BU of 8tx6 by Molmil
Crystal structure of an engineered variant of galactose oxidase, GOaseRd7BB, from Fusarium graminearum
Descriptor: ACETATE ION, CALCIUM ION, COPPER (II) ION, ...
Authors:Selvaraj, B, Orth, P.
Deposit date:2023-08-22
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Development of a Biocatalytic Aerobic Oxidation for the Manufacturing Route to Islatravir
Chemrxiv, 2023
8TX5
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BU of 8tx5 by Molmil
Crystal structure of an engineered variant of galactose oxidase, GOaseRd4BB, from Fusarium graminearum
Descriptor: COPPER (II) ION, GLYCEROL, Galactose oxidase
Authors:Selvaraj, B, Orth, P.
Deposit date:2023-08-22
Release date:2024-07-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Development of a Biocatalytic Aerobic Oxidation for the Manufacturing Route to Islatravir
Chemrxiv, 2023
5EQU
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BU of 5equ by Molmil
Crystal structure of the epimerase SnoN in complex with Fe3+, alpha ketoglutarate and nogalamycin RO
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, Nogalamycin RO, ...
Authors:Selvaraj, B, Lindqvist, Y, Siitonen, V, Metsa-Ketela, M, Schneider, G.
Deposit date:2015-11-13
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Divergent non-heme iron enzymes in the nogalamycin biosynthetic pathway.
Proc.Natl.Acad.Sci.USA, 113, 2016
5ERL
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BU of 5erl by Molmil
Crystal structure of the epimerase SnoN in complex with Ni2+, succinate and nogalamycin RO
Descriptor: NICKEL (II) ION, Nogalamycin RO, SUCCINIC ACID, ...
Authors:Selvaraj, B, Lindqvist, Y, Siitonen, V, Metsa-Ketela, M, Schneider, G.
Deposit date:2015-11-14
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Divergent non-heme iron enzymes in the nogalamycin biosynthetic pathway.
Proc.Natl.Acad.Sci.USA, 113, 2016
5EP9
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BU of 5ep9 by Molmil
Crystal structure of the non-heme alpha ketoglutarate dependent epimerase SnoN from nogalamycin biosynthesis
Descriptor: 2-OXOGLUTARIC ACID, ACETATE ION, FE (III) ION, ...
Authors:Selvaraj, B, Lindqvist, Y, Niiranen, L, Siitonen, V, Metsa-Ketela, M, Schneider, G.
Deposit date:2015-11-11
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Divergent non-heme iron enzymes in the nogalamycin biosynthetic pathway.
Proc.Natl.Acad.Sci.USA, 113, 2016
5EPA
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BU of 5epa by Molmil
Crystal structure of non-heme alpha ketoglutarate dependent carbocyclase SnoK from nogalamycin biosynthesis
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, MAGNESIUM ION, ...
Authors:Selvaraj, B, Lindqvist, Y, Siitonen, V, Niiranen, L, Metsa-Ketela, M, Schneider, G.
Deposit date:2015-11-11
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Divergent non-heme iron enzymes in the nogalamycin biosynthetic pathway.
Proc.Natl.Acad.Sci.USA, 113, 2016
6MEZ
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BU of 6mez by Molmil
X-ray structure of the Fenna-Matthews-Olsen antenna complex from Prosthecochloris aestuarii
Descriptor: BACTERIOCHLOROPHYLL A, Bacteriochlorophyll a protein, SULFATE ION
Authors:Selvaraj, B, Lu, X, Cuneo, M.J, Myles, D.A.A.
Deposit date:2018-09-07
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Neutron and X-ray analysis of the Fenna-Matthews-Olson photosynthetic antenna complex from Prosthecochloris aestuarii.
Acta Crystallogr F Struct Biol Commun, 75, 2019
6NAF
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BU of 6naf by Molmil
De novo designed homo-trimeric amantadine-binding protein
Descriptor: (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, SODIUM ION, amantadine-binding protein
Authors:Selvaraj, B, Park, J, Cuneo, M.J, Myles, D.A.A, Baker, D.
Deposit date:2018-12-05
Release date:2019-12-18
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (1.923 Å), X-RAY DIFFRACTION
Cite:De novo design of a homo-trimeric amantadine-binding protein.
Elife, 8, 2019
6NMK
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BU of 6nmk by Molmil
Binary complex structure of the T130K mutant of ANT-4'' with Neomycin
Descriptor: CALCIUM ION, Kanamycin nucleotidyltransferase, MAGNESIUM ION, ...
Authors:Cuneo, M.J, Selvaraj, B.
Deposit date:2019-01-11
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:'Catch and Release": a Variation of the Archetypal Nucleotidyl Transfer Reaction
Acs Catalysis, 2020
6NMM
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BU of 6nmm by Molmil
Ternary complex structure of the T130K mutant of ANT-4 with Neomycin, AMPCPP and Pyrophosphate
Descriptor: ADENOSINE MONOPHOSPHATE, Kanamycin nucleotidyltransferase, MAGNESIUM ION, ...
Authors:Cuneo, M.J, Selvaraj, B.
Deposit date:2019-01-11
Release date:2020-01-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:'Catch and Release": a Variation of the Archetypal Nucleotidyl Transfer Reaction
Acs Catalysis, 2020
6NLT
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BU of 6nlt by Molmil
Apo structure of the T130K mutant of ANT-4
Descriptor: CALCIUM ION, Kanamycin nucleotidyltransferase
Authors:Selvaraj, B, Cuneo, M.J.
Deposit date:2019-01-09
Release date:2020-01-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Catch and release: A novel variation of the archetypal nucleotidyl transfer reaction
To be published
6NML
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BU of 6nml by Molmil
Ternary structure of the T130K mutant of ANT-4'' with Neomycin and AMPCPP
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Kanamycin nucleotidyltransferase, MAGNESIUM ION, ...
Authors:Cuneo, M.J, Selvaraj, B.
Deposit date:2019-01-11
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:'Catch and Release": a Variation of the Archetypal Nucleotidyl Transfer Reaction
Acs Catalysis, 2020
6NMN
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BU of 6nmn by Molmil
Ternary complex structure of the T130K mutant of ANT-4'' with Neomycin and ATP (No Pyrophosphate)
Descriptor: ADENOSINE MONOPHOSPHATE, Kanamycin nucleotidyltransferase, MAGNESIUM ION, ...
Authors:Cuneo, M.J, Selvaraj, B.
Deposit date:2019-01-11
Release date:2020-01-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Catch and release: A novel variation of the archetypal nucleotidyl transfer reaction
to be published
6MB4
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BU of 6mb4 by Molmil
Binary (sisomicin) structure of AAC-IIIb
Descriptor: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, Aac(3)-IIIb protein
Authors:Cuneo, M.J, Kumar, P.
Deposit date:2018-08-29
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
6MB6
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BU of 6mb6 by Molmil
AAC-IIIb binary with CoASH
Descriptor: Aac(3)-IIIb protein, COENZYME A, MALONATE ION
Authors:Cuneo, M.J, Kumar, P.
Deposit date:2018-08-29
Release date:2018-11-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
6MB5
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BU of 6mb5 by Molmil
AAC-IIIb binary with NEOMYCIN
Descriptor: Aac(3)-IIIb protein, NEOMYCIN
Authors:Cuneo, M.J, Kumar, P.
Deposit date:2018-08-29
Release date:2018-11-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
6MB7
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BU of 6mb7 by Molmil
Binary (paromomycin) structure of AAC-IIIb
Descriptor: Aac(3)-IIIb protein, PAROMOMYCIN
Authors:Cuneo, M.J, Kumar, P.
Deposit date:2018-08-29
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
6MB9
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BU of 6mb9 by Molmil
Ternary (neomycin/CoA) structure of AAC-IIIb
Descriptor: Aac(3)-IIIb protein, COENZYME A, NEOMYCIN, ...
Authors:Cuneo, M.J, Kumar, P.
Deposit date:2018-08-29
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
6MB8
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BU of 6mb8 by Molmil
Apo structure of AAC-IIIb
Descriptor: Aac(3)-IIIb protein, CHLORIDE ION
Authors:Cuneo, M.J, Kumar, P.
Deposit date:2018-08-29
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
6N9H
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BU of 6n9h by Molmil
De novo designed homo-trimeric amantadine-binding protein
Descriptor: (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, SODIUM ION, amantadine-binding protein
Authors:Park, J, Baker, D.
Deposit date:2018-12-03
Release date:2019-12-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.039 Å)
Cite:De novo design of a homo-trimeric amantadine-binding protein.
Elife, 8, 2019

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